Compound Detail
CHEMBL1203013
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Basic Information
| ChEMBL ID | CHEMBL1203013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSKHJUOCGIBXQW-WWPIYYJJSA-N |
| Parent Compound | CHEMBL108100 |
| Active Moiety | CHEMBL108100 |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
152.2
MW (Da)
0.30
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 5.07 | 4.76 | 8500.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 8500.0 | nM | 5.07 | Binding activity against Muscarinic acetylcholine receptor in rat cortex, using ... | 2258905 |
| Muscarinic acetylcholine receptor | Ki | = | 13200.0 | nM | 4.88 | Binding activity to the muscarinic acetylcholine receptor in rat cortex, assayed... | 2258905 |
| Muscarinic acetylcholine receptor | Ki | = | 19100.0 | nM | 4.72 | Binding activity to muscarinic acetylcholine receptor in rat heart, assayed usin... | 2258905 |
| Muscarinic acetylcholine receptor | Ki | = | 20000.0 | nM | 4.7 | Binding activity to muscarinic acetylcholine receptor in rat heart, assayed usin... | 2258905 |
| Muscarinic acetylcholine receptor | Ki | = | 37350.0 | nM | 4.43 | Binding activity to the muscarinic acetylcholine receptor in rat cortex, assayed... | 2258905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2258905 | 10.1021/jm00174a015 | Muscarinic acetylcholine receptor | 5 |
| 2258905 | 10.1021/jm00174a015 | Muscarinic acetylcholine receptor M1 | 2 |
| 2258905 | 10.1021/jm00174a015 | Muscarinic receptor M1 and M2 | 1 |
| 2258905 | 10.1021/jm00174a015 | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine